| SpectraBase Compound ID | 9RmpnQcMC |
|---|---|
| InChI | InChI=1S/C8H11NO/c1-3-9-7(2)5-4-6-8(9)10/h4-6H,3H2,1-2H3 |
| InChIKey | XVWYRVKVLNYXFA-UHFFFAOYSA-N |
| Mol Weight | 137.18 g/mol |
| Molecular Formula | C8H11NO |
| Exact Mass | 137.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FJajPAzZMWn |
|---|---|
| Name | 2(1H)-Pyridinone, 1-ethyl-6-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.084063977 u |
| Formula | C8H11NO |
| InChI | InChI=1S/C8H11NO/c1-3-9-7(2)5-4-6-8(9)10/h4-6H,3H2,1-2H3 |
| InChIKey | XVWYRVKVLNYXFA-UHFFFAOYSA-N |
| Molecular Weight | 137.182 g/mol |
| SMILES | CCN1C(C)=CC=CC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951465 |